[molpro-user] MATROP in MOLPRO 2010.1

Andrey Pershin anchizh93 at gmail.com
Fri Sep 16 01:07:59 CEST 2016


How to change this commands for running on MOLPRO 2010.1? This code are
written for running on MOLPRO 2012.1
 {matrop;
 load,trdm,dens,4300.2,transition,stateb=1.1,statek=1.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=1.1,statek=2.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=1.1,statek=3.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=1.1,statek=4.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=1.1,statek=5.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=1.1,statek=6.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=1.1,statek=7.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=2.1,statek=2.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=2.1,statek=3.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=2.1,statek=4.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=2.1,statek=5.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=2.1,statek=6.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=2.1,statek=7.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=3.1,statek=3.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=3.1,statek=4.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=3.1,statek=5.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=3.1,statek=6.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=3.1,statek=7.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=4.1,statek=4.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=4.1,statek=5.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=4.1,statek=6.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=4.1,statek=7.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=5.1,statek=5.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=5.1,statek=6.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=5.1,statek=7.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=6.1,statek=6.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=6.1,statek=7.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 load,trdm,dens,4300.2,transition,stateb=7.1,statek=7.1;
 load,pot,oper,pot(0),,0,0,0
 trace,ep,trdm,pot,1,0
 }

Andrey Pershin, Master's student, Samara University, Samara, Russia
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